N-(2-ethoxyphenyl)-2-[(8-oxidanylidene-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[(8-oxidanylidene-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide Openeye Name: N-(2-ethoxyphenyl)-2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide CAS Name: N-(2-ethoxyphenyl)-2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]butanamide IUPAC Name: N-(2-ethoxyphenyl)-2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide Traditional Name: 2-[(8-keto-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]-N-o-phenetyl-butyramide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=CC4=C(C=C3C(=O)N2CCC5=CC=CC=C5)OCO4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC3=CC4=C(C=C3C(=O)N2CCC5=CC=CC=C5)OCO4

InChI

InChI=1S/C29H29N3O5S/c1-3-26(27(33)30-21-12-8-9-13-23(21)35-4-2)38-29-31-22-17-25-24(36-18-37-25)16-20(22)28(34)32(29)15-14-19-10-6-5-7-11-19/h5-13,16-17,26H,3-4,14-15,18H2,1-2H3,(H,30,33)